input word = C00030160

Metabolite InformationStructural formula
Name Dulcinol
Scopadulciol
Formula C26H34O4
Mw 410.24570957
CAS RN 130838-01-6
C_ID C00030160 ,
InChIKey GWDZFSLRNFJCLZ-UHFFFAOYNA-N
InChICode InChI=1S/C26H34O4/c1-24-11-12-26(16-24)19(14-21(24)28)13-20(30-23(29)17-7-4-3-5-8-17)22-18(15-27)9-6-10-25(22,26)2/h3-5,7-8,18-20,22,27H,6,9-16H2,1-2H3/t18-,19+,20+,22-,24+,25-,26+/m0/s1
SMILES CC12CCC3(C1)C(CC2=O)CC(OC(=O)c1ccccc1)C1C(CO)CCCC13C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeScoparia dulcis L. Ref.
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